2-(phenylmethyl)-3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoic acid Openeye Name: 2-benzyl-3-[5-[3-(2-pyridylamino)propoxy]indol-1-yl]propanoic acid CAS Name: 2-(phenylmethyl)-3-[5-[3-(2-pyridinylamino)propoxy]-1-indolyl]propanoic acid IUPAC Name: 2-benzyl-3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoic acid Traditional Name: 2-benzyl-3-[5-[3-(2-pyridylamino)propoxy]indol-1-yl]propionic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN2C=CC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CN2C=CC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C26H27N3O3/c30-26(31)22(17-20-7-2-1-3-8-20)19-29-15-12-21-18-23(10-11-24(21)29)32-16-6-14-28-25-9-4-5-13-27-25/h1-5,7-13,15,18,22H,6,14,16-17,19H2,(H,27,28)(H,30,31)